N-(2-chloroethyl)-N-nitrosoacetamide
TL;DR: N-(2-chloroethyl)-N-nitrosoacetamide (CAS 64057-51-8) is a chemical compound with molecular formula C4H7ClN2O2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-nitrosoacetamide
Also Known As: N-(2-Chloroethyl)-N-nitrosoacetamide, CENU, N-(beta-Chloroethyl)-N-nitrosoacetamide, N-(2-Chlor-aethyl)-N-nitroso-acetamid, ACETAMIDE, N-(2-CHLOROETHYL)-N-NITROSO-
| Molecular Formula | C4H7ClN2O2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.0196 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 64057-51-8 |
|---|---|
| SMILES | CC(=O)N(CCCl)N=O |
| InChIKey | HPVMVBSBKXPUMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-chloroethyl)-N-nitrosoacetamide (CAS 64057-51-8), with molecular formula C4H7ClN2O2 and molecular weight 150.02 g/mol. IUPAC: N-(2-chloroethyl)-N-nitrosoacetamide.
Chemical Property Profile of N-(2-chloroethyl)-N-nitrosoacetamide
Property Insights of N-(2-chloroethyl)-N-nitrosoacetamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroethyl)-N-nitrosoacetamide. With a topological polar surface area (TPSA) of 49.7 Ų, N-(2-chloroethyl)-N-nitrosoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloroethyl)-N-nitrosoacetamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-chloroethyl)-N-nitrosoacetamide?
The CAS number of N-(2-chloroethyl)-N-nitrosoacetamide is 64057-51-8.
What is the molecular formula of N-(2-chloroethyl)-N-nitrosoacetamide?
The molecular formula of N-(2-chloroethyl)-N-nitrosoacetamide is C4H7ClN2O2.
What is the molecular weight of N-(2-chloroethyl)-N-nitrosoacetamide?
The molecular weight of N-(2-chloroethyl)-N-nitrosoacetamide is 150.02 g/mol.
Where can I buy N-(2-chloroethyl)-N-nitrosoacetamide?
You can request a quote for N-(2-chloroethyl)-N-nitrosoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroethyl)-N-nitrosoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroethyl)-N-nitrosoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.